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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 43 results

Search term: C31H40O9 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
155143

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H40O9/c1-16-21-14-31(29(5,6)37)15-23(35)17(2)25(31)26(40-28(36)20-11-9-8-10-12-20)27(39-19(4)33)30(21,7)24(13-22(16)34)38-18(3)32/h8-12,21-24,26-27,34-35,37H,1,13-15H2,2-7H3/t21-,22+,23+,24+,26-,27+,30+,31+/m1/s1
C31H40O9556.6439101000
9932136
InChI=1/C31H40O9/c1-6-8-10-12-22(32)14-20-16-24(37-3)18-26(34)28(20)31(36)40-25-17-21(15-23(33)13-11-9-7-2)29(30(35)39-5)27(19-25)38-4/h16-19,34H,6-15H2,1-5H3
C31H40O9556.64399800
8706214

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H40O9/c1-15(2)27(35)39-25-22-23(34)30(6,18(28(25,3)4)12-20(32)36-7)17-8-10-29(5)19(31(17)26(22)40-31)13-21(33)38-24(29)16-9-11-37-14-16/h9,11,14-15,17-19,22,24-26H,8,10,12-13H2,1-7H3/t17-,18+,19-,22-,24+,25-,26-,29-,30-,31-/m1/s1
C31H40O9556.64395400
28556989
InChI=1/C31H40O9/c1-35-13-22-7-19(8-23(14-36-2)29(22)32)28(20-9-24(15-37-3)30(33)25(10-20)16-38-4)21-11-26(17-39-5)31(34)27(12-21)18-40-6/h7-12,28,32-34H,13-18H2,1-6H3
C31H40O9556.64394300
154125

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C31H40O9/c1-15-19(18-8-9-36-13-18)10-20-25(15)31(6)21(11-24(34)35-7)30(5)23(39-17(3)33)12-22(38-16(2)32)29(4)14-37-26(27(29)30)28(31)40-20/h8-9,13,19-23,26-28H,10-12,14H2,1-7H3/t19-,20-,21-,22-,23+,26-,27+,28-,29-,30+,31-/m1/s1
C31H40O9556.64393300
10197367

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H40O9/c1-19-10-12-30-17-36-28(34)15-20(2)11-13-35-23(21(3)38-22(4)32)8-6-7-9-27(33)40-24-16-26(39-25(30)14-19)31(18-37-31)29(24,30)5/h6-9,14-15,21,23-26H,10-13,16-18H2,1-5H3/b8-6+,9-7-,20-15+/t21-,23-,24-,25-,26-,29-,30-,31+/m1/s1
C31H40O9556.64393300
28493979

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H40O9/c1-9-15(3)27(35)39-26-17(5)13-30-18(6)11-22-23(29(22,8)40-28(36)16(4)10-2)21(25(30)34)12-20(14-38-19(7)32)24(33)31(26,30)37/h9-10,12-13,18,21-24,26,33,37H,11,14H2,1-8H3/b15-9-,16-10-/t18-,21+,22-,23+,24-,26+,29-,30+,31+/m1/s1
C31H40O9556.64393300
23168441

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H40O9/c1-16-21-14-31(37)15-23(35)17(2)25(29(31,5)6)26(38-18(3)32)27(39-19(4)33)30(21,7)24(13-22(16)34)40-28(36)20-11-9-8-10-12-20/h8-12,21-24,26-27,34-35,37H,1,13-15H2,2-7H3/t21-,22+,23+,24+,26-,27+,30+,31+/m1/s1
C31H40O9556.64392200
23342645

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C31H40O9/c1-15(32)36-19-13-18-26(2,3)21(33)20-23(39-27(4,5)38-20)29(18,7)17-9-11-28(6)22(16-10-12-35-14-16)37-25(34)24-31(28,40-24)30(17,19)8/h10,12,14,17-20,22-24H,9,11,13H2,1-8H3/t17-,18+,19-,20?,22-,23?,24-,28+,29-,30+,31-/m1/s1
C31H40O9556.64392200
24662289

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H40O9/c1-16(2)25(34)40-27-28(3,4)21(13-22(32)37-7)30(6)19-8-10-29(5)20(18(19)14-31(27,36)26(30)35)12-23(33)39-24(29)17-9-11-38-15-17/h9,11,15-16,19,21,24,27,36H,8,10,12-14H2,1-7H3/t19-,21-,24-,27-,29+,30+,31-/m0/s1
C31H40O9556.64392200
95641167

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C31H40O9/c1-16-21-14-31(29(5,6)37)15-23(35)17(2)25(31)26(40-28(36)20-11-9-8-10-12-20)27(39-19(4)33)30(21,7)24(13-22(16)34)38-18(3)32/h8-12,21-24,26-27,34-35,37H,1,13-15H2,2-7H3
C31H40O9556.64392200
193490

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C31H40O9/c1-17(32)39-16-21(34)20-7-8-22-28(20,3)11-10-23-29(4)12-9-19(40-18(2)33)15-30(29)13-14-31(22,23)25(27(36)38-6)24(30)26(35)37-5/h10,13-14,19-20,22,24-25H,7-9,11-12,15-16H2,1-6H3/t19-,20+,22+,24?,25?,28+,29+,30+,31+/m0/s1
C31H40O9556.64392200
3567995

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H40O9/c1-17(32)39-16-21(34)20-7-8-22-28(20,3)11-10-23-29(4)12-9-19(40-18(2)33)15-30(29)13-14-31(22,23)25(27(36)38-6)24(30)26(35)37-5/h10,13-14,19-20,22,24-25H,7-9,11-12,15-16H2,1-6H3
C31H40O9556.6438999999982100
4396500

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H40O9/c1-9-15(3)27(35)39-26-17(5)13-30-18(6)11-22-23(29(22,8)40-28(36)16(4)10-2)21(25(30)34)12-20(14-38-19(7)32)24(33)31(26,30)37/h9-10,12-13,18,21-24,26,33,37H,11,14H2,1-8H3
C31H40O9556.6438999999982100
4479623

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C31H40O9/c1-16-21(34)13-14-30(7)24(16)26(40-28(36)20-11-9-8-10-12-20)31(37)15-22(35)17(2)23(29(31,5)6)25(38-18(3)32)27(30)39-19(4)33/h8-12,21-22,24-27,34-35,37H,1,13-15H2,2-7H3/t21?,22?,24?,25-,26?,27?,30-,31-/m1/s1
C31H40O9556.64392200
4579959

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C31H40O9/c1-9-15(3)27(35)39-26-17(5)13-30-18(6)11-22-23(29(22,8)40-28(36)16(4)10-2)21(25(30)34)12-20(14-38-19(7)32)24(33)31(26,30)37/h9-10,12-13,18,21-24,26,33,37H,11,14H2,1-8H3/b15-9-,16-10-/t18-,21?,22-,23+,24-,26+,29-,30?,31+/m1/s1
C31H40O9556.64392200
5144510

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H40O9/c1-9-15(3)27(35)39-26-17(5)13-30-18(6)11-22-23(29(22,8)40-28(36)16(4)10-2)21(25(30)34)12-20(14-38-19(7)32)24(33)31(26,30)37/h9-10,12-13,18,21-24,26,33,37H,11,14H2,1-8H3/t18-,21+,22-,23+,24-,26+,29-,30?,31+/m1/s1
C31H40O9556.64392100
8004900

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C31H40O9/c1-15-21-13-20-24(16(2)26(35)25(20)30(5,6)37)27(40-29(36)19-11-9-8-10-12-19)28(39-18(4)33)31(21,7)23(14-22(15)34)38-17(3)32/h8-12,20-23,25-28,34-35,37H,1,13-14H2,2-7H3/t20?,21?,22-,23-,25+,26+,27+,28-,31-/m0/s1
C31H40O9556.64392100
8113229

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C31H40O9/c1-16-21-14-31(29(5,6)37)15-23(35)17(2)25(31)26(40-28(36)20-11-9-8-10-12-20)27(39-19(4)33)30(21,7)24(13-22(16)34)38-18(3)32/h8-12,21-24,26-27,34-35,37H,1,13-15H2,2-7H3/t21?,22-,23-,24-,26+,27-,30-,31-/m0/s1
C31H40O9556.64392100
8613132

Double-bond stereo

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C31H40O9/c1-19-10-12-30-17-36-28(34)15-20(2)11-13-35-23(21(3)38-22(4)32)8-6-7-9-27(33)40-24-16-26(39-25(30)14-19)31(18-37-31)29(24,30)5/h6-9,14-15,21,23-26H,10-13,16-18H2,1-5H3/b8-6-,9-7-,20-15-/t21?,23?,24-,25-,26?,29?,30-,31+/m1/s1
C31H40O9556.64392100
123

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